CID 87485757

2-{[3-(trifluoromethoxy)phenoxy]methyl}oxirane

Structural Information

Molecular Formula
C10H9F3O3
SMILES
C1C(O1)COC2=CC(=CC=C2)OC(F)(F)F
InChI
InChI=1S/C10H9F3O3/c11-10(12,13)16-8-3-1-2-7(4-8)14-5-9-6-15-9/h1-4,9H,5-6H2
InChIKey
PMPDOIOTZYCPMY-UHFFFAOYSA-N
Compound name
2-[[3-(trifluoromethoxy)phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

234.05038 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.057656 140.7
[M+Na]+ 257.039598 150.8
[M-H]- 233.043104 145.3
[M+NH4]+ 252.084203 152.6
[M+K]+ 273.013538 149.5
[M+H-H2O]+ 217.047640 131.3
[M+HCOO]- 279.048581 160.3
[M+CH3COO]- 293.064231 190.9
[M+Na-2H]- 255.025046 148.2
[M]+ 234.04983142 143.4
[M]- 234.05092858 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe